2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone

C18H28N2O2 — CID 126710006

IUPAC2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone
SMILESCC1C2CCN(C(=O)C(N)C34CC5CC(CC(O)(C5)C3)C4)C12
InChIInChI=1S/C18H28N2O2/c1-10-13-2-3-20(14(10)13)16(21)15(19)17-5-11-4-12(6-17)8-18(22,7-11)9-17/h10-15,22H,2-9,19H2,1H3
InChIKeyQUGWQEGTKOTFSJ-UHFFFAOYSA-N
MW304.43 g/mol
LogP1.51
Rot. Bonds2

About 2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone

2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone (PubChem CID 126710006) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone
PubChem CID126710006
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone
SMILESCC1C2CCN(C(=O)C(N)C34CC5CC(CC(O)(C5)C3)C4)C12
InChIInChI=1S/C18H28N2O2/c1-10-13-2-3-20(14(10)13)16(21)15(19)17-5-11-4-12(6-17)8-18(22,7-11)9-17/h10-15,22H,2-9,19H2,1H3
InChIKeyQUGWQEGTKOTFSJ-UHFFFAOYSA-N
XLogP1.51
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone?
The IUPAC name of 2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone (CID 126710006) is 2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone.
What is the SMILES notation for 2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone?
The canonical SMILES for 2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone is CC1C2CCN(C(=O)C(N)C34CC5CC(CC(O)(C5)C3)C4)C12.
What is the InChIKey of 2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone?
The InChIKey is QUGWQEGTKOTFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-10-13-2-3-20(14(10)13)16(21)15(19)17-5-11-4-12(6-17)8-18(22,7-11)9-17/h10-15,22H,2-9,19H2,1H3.
What are the key properties of 2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone?
2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone has a molecular weight of 304.43 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone is sourced from PubChem (CID 126710006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).